6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-methyl-5-[(2-methyl-5-nitro-phenyl)methyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-methyl-5-[(2-methyl-5-nitrophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-methyl-5-(2-methyl-5-nitro-benzyl)-1H-pyrimidin-4-one Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CC2=C(NC(=NC2=O)SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O3S/c1-13-8-9-17(23(25)26)10-16(13)11-18-14(2)21-20(22-19(18)24)27-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,22,24)